Chemical ID: 7655664

Cc1ccc(cc1)c2nnc(s2)NC(=O)c3cccc(c3)C(F)(F)F
Chemical ID:
7655664
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)c2nnc(s2)NC(=O)c3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C17H12F3N3OS/c1-10-5-7-11(8-6-10)15-22-23-16(25-15)21-14(24)12-3-2-4-13(9-12)17(18,19)20/h2-9H,1H3,(H,21,23,24)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,3,7,4,6,21,2,5,16,20,14,8,11,22,23,24,25,13,9,10,15,12/E:(5,6)(7,8)(18,19,20)/rA:25nCCCCCCCCNNCSNCOCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12F3N3OS
All Atoms:37
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:10.1179
Area:545.591
Solvation:-3.52185
Coulombic:-46.1165
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.54
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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